| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:44:48 UTC |
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| Update Date | 2025-03-25 00:48:11 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02166624 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C5H10N2O4 |
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| Molecular Mass | 162.0641 |
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| SMILES | CC(=O)NCCCO[N+](=O)[O-] |
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| InChI Key | IDYBQNCBYLUEAP-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic acids and derivatives |
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| Class | organic nitric acids and derivatives |
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| Subclass | nitrate esters |
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| Direct Parent | nitrate esters |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | acetamidesalkyl nitratescarbonyl compoundscarboxylic acids and derivativeshydrocarbon derivativesorganic nitro compoundsorganic oxidesorganonitrogen compoundsorganopnictogen compoundssecondary carboxylic acid amides |
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| Substituents | aliphatic acyclic compoundcarbonyl grouporganic nitratenitrate esterallyl-type 1,3-dipolar organic compoundorganic 1,3-dipolar compoundcarboxamide groupcarboxylic acid derivativeorganic nitro compoundsecondary carboxylic acid amideorganic oxideorganic oxygen compoundalkyl nitrateorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundacetamideorganooxygen compoundorganic hyponitrite |
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